Glycoside
GD140668
Name:
Polyoxin AFormula:
C23H32O14N6Smiles:
CC=C1CN(C(=O)C(N=C(O)C(N)C(O)C(O)COC(=N)O)C2OC(n3cc(CO)c(O)nc3=O)C(O)C2O)C1C(=O)OAglycone:
CC=C1CN(C(=O)CN=C(O)C(N)C(O)C(O)COC(=N)O)C1C(=O)O.O=c1nc(O)c(CO)c[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 3 |
| HBD: | 12 | FractionCSP3: | 0.57 |
| AlogP: | -4.81 | Num_rotatable_bonds: | 11 |
| MolWt: | 616.54 | Num_heavy_atoms: | 43 |
| TPSA: | 335.03 | NumAromaticRings: | 1 |
Unique Aglycone
AD44960
Formula: C14H22O8N4
Smiles:
CC=C1CN(C(=O)CN=C(O)C(N)C(O)C(O)COC(=N)O)C1C(=O)O| HBA: | 12 | RingCount: | 1 |
| HBD: | 8 | FractionCSP3: | 0.57 |
| AlogP: | -2.26 | Num_rotatable_bonds: | 8 |
| MolWt: | 374.35 | Num_heavy_atoms: | 26 |
| TPSA: | 209.99 | NumAromaticRings: | 0 |
AD48114
Formula: C5H6O3N2
Smiles:
O=c1nc(O)c(CO)c[nH]1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.2 |
| AlogP: | -1.03 | Num_rotatable_bonds: | 1 |
| MolWt: | 142.11 | Num_heavy_atoms: | 10 |
| TPSA: | 86.21 | NumAromaticRings: | 1 |
